3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide

C17H17ClN2O — CID 43767608

IUPAC3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C17H17ClN2O/c18-14-8-6-12(7-9-14)16(11-4-5-11)20-15-3-1-2-13(10-15)17(19)21/h1-3,6-11,16,20H,4-5H2,(H2,19,21)
InChIKeyWCTAFNGQSDVXHQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.00
Rot. Bonds5

About 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide

3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide (PubChem CID 43767608) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
PubChem CID43767608
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C17H17ClN2O/c18-14-8-6-12(7-9-14)16(11-4-5-11)20-15-3-1-2-13(10-15)17(19)21/h1-3,6-11,16,20H,4-5H2,(H2,19,21)
InChIKeyWCTAFNGQSDVXHQ-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
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61314159
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
CID 43757413
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
CID 43773132
N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide
CID 119164758
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide?
The IUPAC name of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide (CID 43767608) is 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide.
What is the SMILES notation for 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide?
The canonical SMILES for 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide is NC(=O)c1cccc(NC(c2ccc(Cl)cc2)C2CC2)c1.
What is the InChIKey of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide?
The InChIKey is WCTAFNGQSDVXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-8-6-12(7-9-14)16(11-4-5-11)20-15-3-1-2-13(10-15)17(19)21/h1-3,6-11,16,20H,4-5H2,(H2,19,21).
What are the key properties of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide?
3-[[(4-chlorophenyl)-cyclopropylmethyl]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 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide is sourced from PubChem (CID 43767608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).