2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide

C17H17ClN2O — CID 61314159

IUPAC2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
SMILESNC(=O)c1cc(NC(c2ccccc2)C2CC2)ccc1Cl
InChIInChI=1S/C17H17ClN2O/c18-15-9-8-13(10-14(15)17(19)21)20-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,20H,6-7H2,(H2,19,21)
InChIKeyKWTHIVNHCZNLHF-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.00
Rot. Bonds5

About 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide

2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide (PubChem CID 61314159) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
PubChem CID61314159
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
SMILESNC(=O)c1cc(NC(c2ccccc2)C2CC2)ccc1Cl
InChIInChI=1S/C17H17ClN2O/c18-15-9-8-13(10-14(15)17(19)21)20-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,20H,6-7H2,(H2,19,21)
InChIKeyKWTHIVNHCZNLHF-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61313756
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
CID 43767608
2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
CID 61312189
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]-4-fluoroaniline
CID 107572890
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897291
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
2-chloro-4-(dicyclopropylmethylamino)benzoic acid
CID 62945756
4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide
CID 61313949
N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
CID 63434078
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide?
The IUPAC name of 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide (CID 61314159) is 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide.
What is the SMILES notation for 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide?
The canonical SMILES for 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide is NC(=O)c1cc(NC(c2ccccc2)C2CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide?
The InChIKey is KWTHIVNHCZNLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-9-8-13(10-14(15)17(19)21)20-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,20H,6-7H2,(H2,19,21).
What are the key properties of 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide?
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide has a molecular weight of 300.79 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide is sourced from PubChem (CID 61314159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).