2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide

C18H19ClN2O4 — CID 131927811

IUPAC2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
SMILESCOCC(=O)Nc1cc(NC(=O)c2cccc(C)c2Cl)ccc1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-5-4-6-13(17(11)19)18(23)20-12-7-8-15(25-3)14(9-12)21-16(22)10-24-2/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYEGVWMHOBSWLQX-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.49
Rot. Bonds6

About 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide

2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide (PubChem CID 131927811) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
PubChem CID131927811
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
SMILESCOCC(=O)Nc1cc(NC(=O)c2cccc(C)c2Cl)ccc1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-5-4-6-13(17(11)19)18(23)20-12-7-8-15(25-3)14(9-12)21-16(22)10-24-2/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYEGVWMHOBSWLQX-UHFFFAOYSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]pyridine-2-carboxamide
CID 131938039
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
N-(5-acetamido-2-methoxyphenyl)-2,3-dimethylbenzamide
CID 8873770
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
2,6-dichloro-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]benzamide
CID 131901895
2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
CID 55690697
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 3157279
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 131902769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide (CID 131927811) is 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide is COCC(=O)Nc1cc(NC(=O)c2cccc(C)c2Cl)ccc1OC.
What is the InChIKey of 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide?
The InChIKey is YEGVWMHOBSWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11-5-4-6-13(17(11)19)18(23)20-12-7-8-15(25-3)14(9-12)21-16(22)10-24-2/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide?
2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide has a molecular weight of 362.81 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 131927811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).