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

C24H24N2O — CID 90212569

IUPACN-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
SMILESCC[C@@]1(N)C[C@H]1c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O/c1-2-24(25)16-22(24)20-9-6-10-21(15-20)26-23(27)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-15,22H,2,16,25H2,1H3,(H,26,27)/t22-,24+/m0/s1
InChIKeyGKVDGZSSSJKULQ-LADGPHEKSA-N
MW356.47 g/mol
LogP5.20
Rot. Bonds5

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

N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide (PubChem CID 90212569) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
PubChem CID90212569
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
SMILESCC[C@@]1(N)C[C@H]1c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O/c1-2-24(25)16-22(24)20-9-6-10-21(15-20)26-23(27)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-15,22H,2,16,25H2,1H3,(H,26,27)/t22-,24+/m0/s1
InChIKeyGKVDGZSSSJKULQ-LADGPHEKSA-N
XLogP5.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
CID 90205042
N-[4-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 74763834
[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid
CID 155044907
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride
CID 118483954
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride
CID 118483850
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
CID 155202146
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide (CID 90212569) is N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide is CC[C@@]1(N)C[C@H]1c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide?
The InChIKey is GKVDGZSSSJKULQ-LADGPHEKSA-N. The full InChI is InChI=1S/C24H24N2O/c1-2-24(25)16-22(24)20-9-6-10-21(15-20)26-23(27)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-15,22H,2,16,25H2,1H3,(H,26,27)/t22-,24+/m0/s1.
What are the key properties of N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide?
N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 90212569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).