2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide

C16H15ClN2O — CID 115540566

IUPAC2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C16H15ClN2O/c17-13-8-4-7-11(15(13)18)16(20)19-14-9-12(14)10-5-2-1-3-6-10/h1-8,12,14H,9,18H2,(H,19,20)
InChIKeySXABCZGQSYBJHE-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.21
Rot. Bonds3

About 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide

2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide (PubChem CID 115540566) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
PubChem CID115540566
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C16H15ClN2O/c17-13-8-4-7-11(15(13)18)16(20)19-14-9-12(14)10-5-2-1-3-6-10/h1-8,12,14H,9,18H2,(H,19,20)
InChIKeySXABCZGQSYBJHE-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 115540774
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea
CID 10404791
5-amino-1-methyl-N-(2-phenylcyclopropyl)pyrazole-4-carboxamide
CID 115330669
1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 3323199
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
4-hydrazinyl-N-(2-phenylcyclopropyl)benzamide
CID 62249097
5-amino-N-(2-phenylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615763
3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide
CID 97015086
2-cyclobutyloxy-N-(2-phenylcyclopropyl)benzamide
CID 86970728
3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide
CID 134108990

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide (CID 115540566) is 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide is Nc1c(Cl)cccc1C(=O)NC1CC1c1ccccc1.
What is the InChIKey of 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide?
The InChIKey is SXABCZGQSYBJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-8-4-7-11(15(13)18)16(20)19-14-9-12(14)10-5-2-1-3-6-10/h1-8,12,14H,9,18H2,(H,19,20).
What are the key properties of 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide?
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide has a molecular weight of 286.76 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide is sourced from PubChem (CID 115540566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).