4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide

C18H17ClN2O3 — CID 109043380

IUPAC4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-24-16-9-8-14(10-15(16)19)21-18(23)12-4-2-11(3-5-12)17(22)20-13-6-7-13/h2-5,8-10,13H,6-7H2,1H3,(H,20,22)(H,21,23)
InChIKeySUKXXBDNALRWDD-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.49
Rot. Bonds5

About 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide

4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide (PubChem CID 109043380) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
PubChem CID109043380
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-24-16-9-8-14(10-15(16)19)21-18(23)12-4-2-11(3-5-12)17(22)20-13-6-7-13/h2-5,8-10,13H,6-7H2,1H3,(H,20,22)(H,21,23)
InChIKeySUKXXBDNALRWDD-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050788
3-N-(3-chloro-4-methoxyphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103098
3,5-dichloro-N-[4-(cyclopropylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51300077
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130939
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide (CID 109043380) is 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
The InChIKey is SUKXXBDNALRWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-24-16-9-8-14(10-15(16)19)21-18(23)12-4-2-11(3-5-12)17(22)20-13-6-7-13/h2-5,8-10,13H,6-7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).