N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide

C16H16N2O — CID 118734108

IUPACN-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
SMILESN[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/m0/s1
InChIKeyLWZOXNDYTWHCNC-GJZGRUSLSA-N
MW252.32 g/mol
LogP2.75
Rot. Bonds3

About N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide

N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide (PubChem CID 118734108) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
PubChem CID118734108
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
SMILESN[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/m0/s1
InChIKeyLWZOXNDYTWHCNC-GJZGRUSLSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[3-[[4-[(1S,2R)-2-aminocyclopropyl]phenyl]carbamoyl]phenyl]carbamate;hydrochloride
CID 127032253
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide
CID 86729837
N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
CID 90205042
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 118304860
N-(3-fluorophenyl)-3-[(2-phenylcyclopropyl)amino]benzamide
CID 164589748
3-(2-phenylcyclopropyl)benzamide
CID 144684573
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 90212569
(1R)-2-(3-phenylphenyl)cyclopropan-1-amine
CID 20666508

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide?
The IUPAC name of N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide (CID 118734108) is N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide?
The canonical SMILES for N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide is N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide?
The InChIKey is LWZOXNDYTWHCNC-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/m0/s1.
What are the key properties of N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide?
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide has a molecular weight of 252.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide is sourced from PubChem (CID 118734108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).