[2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid

C23H20N2O3 — CID 90214035

IUPAC[2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
SMILESO=C(O)NC1CC1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O3/c26-22(18-8-6-16(7-9-18)15-4-2-1-3-5-15)24-19-12-10-17(11-13-19)20-14-21(20)25-23(27)28/h1-13,20-21,25H,14H2,(H,24,26)(H,27,28)
InChIKeyLCJJEDVMSANINE-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.73
Rot. Bonds5

About [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid

[2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid (PubChem CID 90214035) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
PubChem CID90214035
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name[2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
SMILESO=C(O)NC1CC1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O3/c26-22(18-8-6-16(7-9-18)15-4-2-1-3-5-15)24-19-12-10-17(11-13-19)20-14-21(20)25-23(27)28/h1-13,20-21,25H,14H2,(H,24,26)(H,27,28)
InChIKeyLCJJEDVMSANINE-UHFFFAOYSA-N
XLogP4.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-(2-phenylcyclopropyl)phenyl]benzamide
CID 144638374
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214092
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
[(1R,2S)-2-[4-[(3-tert-butylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214249
[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
CID 90214126
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
4-hydrazinyl-N-(2-phenylcyclopropyl)benzamide
CID 62249097
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
The IUPAC name of [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid (CID 90214035) is [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid is O=C(O)NC1CC1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
The InChIKey is LCJJEDVMSANINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(18-8-6-16(7-9-18)15-4-2-1-3-5-15)24-19-12-10-17(11-13-19)20-14-21(20)25-23(27)28/h1-13,20-21,25H,14H2,(H,24,26)(H,27,28).
What are the key properties of [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
[2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid has a molecular weight of 372.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 90214035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).