2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide

C24H23ClN2O4 — CID 22780959

IUPAC2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)c1
InChIInChI=1S/C24H23ClN2O4/c1-3-13-31-18-8-6-7-16(14-18)23(28)26-17-11-12-21(22(15-17)30-2)27-24(29)19-9-4-5-10-20(19)25/h4-12,14-15H,3,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyCTWGJPFUUXUFDZ-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.64
Rot. Bonds8

About 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide

2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide (PubChem CID 22780959) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide
PubChem CID22780959
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)c1
InChIInChI=1S/C24H23ClN2O4/c1-3-13-31-18-8-6-7-16(14-18)23(28)26-17-11-12-21(22(15-17)30-2)27-24(29)19-9-4-5-10-20(19)25/h4-12,14-15H,3,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyCTWGJPFUUXUFDZ-UHFFFAOYSA-N
XLogP5.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide
CID 17111386
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 1319753
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293
N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
CID 4508582
4-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitrobenzamide
CID 17111361
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
CID 17134395
2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
CID 17111369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide (CID 22780959) is 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide is CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)c1.
What is the InChIKey of 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide?
The InChIKey is CTWGJPFUUXUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-3-13-31-18-8-6-7-16(14-18)23(28)26-17-11-12-21(22(15-17)30-2)27-24(29)19-9-4-5-10-20(19)25/h4-12,14-15H,3,13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide?
2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide has a molecular weight of 438.91 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 22780959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).