N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide

C18H17ClN2O2 — CID 37032402

IUPACN-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1Cl
InChIInChI=1S/C18H17ClN2O2/c1-11-5-8-15(10-16(11)19)21-18(23)13-3-2-4-14(9-13)20-17(22)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,20,22)(H,21,23)
InChIKeyDMPBJGQFZRSBFX-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.25
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide

N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide (PubChem CID 37032402) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
PubChem CID37032402
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1Cl
InChIInChI=1S/C18H17ClN2O2/c1-11-5-8-15(10-16(11)19)21-18(23)13-3-2-4-14(9-13)20-17(22)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,20,22)(H,21,23)
InChIKeyDMPBJGQFZRSBFX-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
CID 46578980
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid
CID 17172311
N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 36542869

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide (CID 37032402) is N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide is Cc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide?
The InChIKey is DMPBJGQFZRSBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-5-8-15(10-16(11)19)21-18(23)13-3-2-4-14(9-13)20-17(22)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide?
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide has a molecular weight of 328.80 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 37032402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).