cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide

C32H28N2O2 — CID 93010782

IUPACcis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)cc1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C32H28N2O2/c35-31(29-19-27(29)23-7-3-1-4-8-23)33-25-15-11-21(12-16-25)22-13-17-26(18-14-22)34-32(36)30-20-28(30)24-9-5-2-6-10-24/h1-18,27-30H,19-20H2,(H,33,35)(H,34,36)/t27-,28-,29-,30-/m1/s1
InChIKeyIAOUTJCQBSBFRA-SKKKGAJSSA-N
MW472.59 g/mol
LogP6.84
Rot. Bonds7

About cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 93010782) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
PubChem CID93010782
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Namecis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)cc1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C32H28N2O2/c35-31(29-19-27(29)23-7-3-1-4-8-23)33-25-15-11-21(12-16-25)22-13-17-26(18-14-22)34-32(36)30-20-28(30)24-9-5-2-6-10-24/h1-18,27-30H,19-20H2,(H,33,35)(H,34,36)/t27-,28-,29-,30-/m1/s1
InChIKeyIAOUTJCQBSBFRA-SKKKGAJSSA-N
XLogP6.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 631039
(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 158843512
cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 11902701
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 81485516
trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 35533273
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide (CID 93010782) is cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)cc1)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is IAOUTJCQBSBFRA-SKKKGAJSSA-N. The full InChI is InChI=1S/C32H28N2O2/c35-31(29-19-27(29)23-7-3-1-4-8-23)33-25-15-11-21(12-16-25)22-13-17-26(18-14-22)34-32(36)30-20-28(30)24-9-5-2-6-10-24/h1-18,27-30H,19-20H2,(H,33,35)(H,34,36)/t27-,28-,29-,30-/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 6.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 93010782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).