N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide

C16H16ClN3O3 — CID 39184782

IUPACN-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(NC(=O)CN)ccc2Cl)c1
InChIInChI=1S/C16H16ClN3O3/c1-23-12-4-2-3-10(7-12)16(22)20-14-8-11(5-6-13(14)17)19-15(21)9-18/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyYCQBVVQMYWNMTO-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.50
Rot. Bonds5

About N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide

N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide (PubChem CID 39184782) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide
PubChem CID39184782
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(NC(=O)CN)ccc2Cl)c1
InChIInChI=1S/C16H16ClN3O3/c1-23-12-4-2-3-10(7-12)16(22)20-14-8-11(5-6-13(14)17)19-15(21)9-18/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyYCQBVVQMYWNMTO-UHFFFAOYSA-N
XLogP2.50
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-chlorobenzamide
CID 39184820
4-chloro-3-[(3-methoxybenzoyl)amino]benzamide
CID 50875837
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]pyridine-3-carboxamide
CID 39184826
N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
CID 4508582
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide
CID 39186055
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095520
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095521
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide
CID 1228530
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
CID 39186063
N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-3-methoxybenzamide
CID 3423334
N-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide (CID 39184782) is N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(NC(=O)CN)ccc2Cl)c1.
What is the InChIKey of N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide?
The InChIKey is YCQBVVQMYWNMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-23-12-4-2-3-10(7-12)16(22)20-14-8-11(5-6-13(14)17)19-15(21)9-18/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide?
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide has a molecular weight of 333.78 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide is sourced from PubChem (CID 39184782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).