2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide

C16H15ClN2O — CID 82546637

IUPAC2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C16H15ClN2O/c17-13-8-4-7-12(14(13)18)15(20)19-16(9-10-16)11-5-2-1-3-6-11/h1-8H,9-10,18H2,(H,19,20)
InChIKeyADIJORZPEYGIEO-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.34
Rot. Bonds3

About 2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide

2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide (PubChem CID 82546637) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide
PubChem CID82546637
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C16H15ClN2O/c17-13-8-4-7-12(14(13)18)15(20)19-16(9-10-16)11-5-2-1-3-6-11/h1-8H,9-10,18H2,(H,19,20)
InChIKeyADIJORZPEYGIEO-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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

2-amino-N-(3-chlorophenyl)benzamide
CID 720859
2-amino-N-(4-chlorophenyl)benzamide
CID 670472
Benzanilide, 2-amino-5-chloro-
CID 204225
2-[(2-Chlorobenzoyl)amino]benzamide
CID 295303
2-{[3-(4-Chlorophenyl)acryloyl]amino}benzamide
CID 717611
2-Amino-N-(2-chlorophenyl)benzamide
CID 720820
5-Chloro-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 719608
2-(4-Chloroanilino)benzamide
CID 901929
2-amino-5-chloro-N-(3-chlorophenyl)benzamide
CID 28605483
5-Chloro-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide
CID 53329233
2-{[3-(3-Chlorophenyl)acryloyl]amino}benzamide
CID 898839
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide (CID 82546637) is 2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide is Nc1c(Cl)cccc1C(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide?
The InChIKey is ADIJORZPEYGIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-8-4-7-12(14(13)18)15(20)19-16(9-10-16)11-5-2-1-3-6-11/h1-8H,9-10,18H2,(H,19,20).
What are the key properties of 2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide?
2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide has a molecular weight of 286.76 g/mol, XLogP of 3.34, 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-(1-phenylcyclopropyl)benzamide is sourced from PubChem (CID 82546637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).