2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide

C23H21ClN2O4 — CID 4014221

IUPAC2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)COc2ccc(C)cc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O4/c1-15-7-10-17(11-8-15)30-14-22(27)25-16-9-12-20(21(13-16)29-2)26-23(28)18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyIVRBKOIURSMGLE-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.93
Rot. Bonds7

About 2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide

2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 4014221) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID4014221
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)COc2ccc(C)cc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O4/c1-15-7-10-17(11-8-15)30-14-22(27)25-16-9-12-20(21(13-16)29-2)26-23(28)18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyIVRBKOIURSMGLE-UHFFFAOYSA-N
XLogP4.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
CID 17111369
2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1313904
N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide
CID 17111386
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]-2-methoxybenzamide
CID 39184598
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632
2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 1319753
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide (CID 4014221) is 2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide is COc1cc(NC(=O)COc2ccc(C)cc2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is IVRBKOIURSMGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-15-7-10-17(11-8-15)30-14-22(27)25-16-9-12-20(21(13-16)29-2)26-23(28)18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 424.88 g/mol, XLogP of 4.93, 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-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 4014221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).