3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide

C19H19Cl2NO3 — CID 45353412

IUPAC3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccc(Cl)cc2)C2CC2)cc(Cl)c1OC
InChIInChI=1S/C19H19Cl2NO3/c1-24-16-10-13(9-15(21)18(16)25-2)19(23)22-17(11-3-4-11)12-5-7-14(20)8-6-12/h5-11,17H,3-4H2,1-2H3,(H,22,23)
InChIKeyRJYXRNONRGTZBR-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.89
Rot. Bonds6

About 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide

3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide (PubChem CID 45353412) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide
PubChem CID45353412
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccc(Cl)cc2)C2CC2)cc(Cl)c1OC
InChIInChI=1S/C19H19Cl2NO3/c1-24-16-10-13(9-15(21)18(16)25-2)19(23)22-17(11-3-4-11)12-5-7-14(20)8-6-12/h5-11,17H,3-4H2,1-2H3,(H,22,23)
InChIKeyRJYXRNONRGTZBR-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
2-(4-chlorophenyl)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 51688261
3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide
CID 43058061
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide
CID 55686041
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 51323720
N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 24625885
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
(2R)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 80748225
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
CID 93041589

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide (CID 45353412) is 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide is COc1cc(C(=O)NC(c2ccc(Cl)cc2)C2CC2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide?
The InChIKey is RJYXRNONRGTZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-24-16-10-13(9-15(21)18(16)25-2)19(23)22-17(11-3-4-11)12-5-7-14(20)8-6-12/h5-11,17H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide?
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide has a molecular weight of 380.27 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 45353412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).