N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide

C33H28N2O — CID 90204670

IUPACN-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide
SMILESN[C@@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C33H28N2O/c34-33(21-23-13-14-25-9-4-5-10-27(25)19-23)22-31(33)26-15-17-30(18-16-26)35-32(36)29-12-6-11-28(20-29)24-7-2-1-3-8-24/h1-20,31H,21-22,34H2,(H,35,36)/t31-,33-/m0/s1
InChIKeyUVDNUTXFPQVJCW-WEZIJMHWSA-N
MW468.60 g/mol
LogP7.19
Rot. Bonds6

About N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide

N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide (PubChem CID 90204670) has the molecular formula C33H28N2O and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide
PubChem CID90204670
Molecular FormulaC33H28N2O
Molecular Weight468.60 g/mol
Exact Mass468.22
IUPAC NameN-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide
SMILESN[C@@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C33H28N2O/c34-33(21-23-13-14-25-9-4-5-10-27(25)19-23)22-31(33)26-15-17-30(18-16-26)35-32(36)29-12-6-11-28(20-29)24-7-2-1-3-8-24/h1-20,31H,21-22,34H2,(H,35,36)/t31-,33-/m0/s1
InChIKeyUVDNUTXFPQVJCW-WEZIJMHWSA-N
XLogP7.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90198019
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide
CID 90205307
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride
CID 90198032
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 118483780
benzyl N-[3-[2-[4-[(1S,2S)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetyl]phenyl]carbamate
CID 161463395
N-[4-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 74763834
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride
CID 90198033
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 90212569
3-naphthalen-2-yl-N-pyridin-4-ylbenzamide
CID 118722840

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide?
The IUPAC name of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide (CID 90204670) is N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide.
What is the SMILES notation for N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide?
The canonical SMILES for N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide is N[C@@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide?
The InChIKey is UVDNUTXFPQVJCW-WEZIJMHWSA-N. The full InChI is InChI=1S/C33H28N2O/c34-33(21-23-13-14-25-9-4-5-10-27(25)19-23)22-31(33)26-15-17-30(18-16-26)35-32(36)29-12-6-11-28(20-29)24-7-2-1-3-8-24/h1-20,31H,21-22,34H2,(H,35,36)/t31-,33-/m0/s1.
What are the key properties of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide?
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide has a molecular weight of 468.60 g/mol, XLogP of 7.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide is sourced from PubChem (CID 90204670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).