2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide

C24H23ClN2O4 — CID 1319753

IUPAC2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C24H23ClN2O4/c1-15(2)31-18-11-8-16(9-12-18)23(28)26-17-10-13-21(22(14-17)30-3)27-24(29)19-6-4-5-7-20(19)25/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyVHYHORULNRMAOL-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.64
Rot. Bonds7

About 2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide

2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide (PubChem CID 1319753) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
PubChem CID1319753
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C24H23ClN2O4/c1-15(2)31-18-11-8-16(9-12-18)23(28)26-17-10-13-21(22(14-17)30-3)27-24(29)19-6-4-5-7-20(19)25/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyVHYHORULNRMAOL-UHFFFAOYSA-N
XLogP5.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
4-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitrobenzamide
CID 17111361
2-chloro-N-[2-methoxy-4-[(4-phenylbenzoyl)carbamothioylamino]phenyl]benzamide
CID 17115563
2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide
CID 22780959
2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
CID 17111369
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4014221
2-chloro-N-[4-[(2,2-diphenylacetyl)carbamothioylamino]-2-methoxyphenyl]benzamide
CID 17317115
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide (CID 1319753) is 2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide is COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide?
The InChIKey is VHYHORULNRMAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-15(2)31-18-11-8-16(9-12-18)23(28)26-17-10-13-21(22(14-17)30-3)27-24(29)19-6-4-5-7-20(19)25/h4-15H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide?
2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide has a molecular weight of 438.91 g/mol, XLogP of 5.64, 7 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-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 1319753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).