N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide

C16H16ClN3O2 — CID 39186055

IUPACN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)CN)cc2Cl)c1
InChIInChI=1S/C16H16ClN3O2/c1-10-3-2-4-11(7-10)16(22)20-14-6-5-12(8-13(14)17)19-15(21)9-18/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeySYTRIMFWAGXSMA-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.80
Rot. Bonds4

About N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide

N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide (PubChem CID 39186055) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide
PubChem CID39186055
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)CN)cc2Cl)c1
InChIInChI=1S/C16H16ClN3O2/c1-10-3-2-4-11(7-10)16(22)20-14-6-5-12(8-13(14)17)19-15(21)9-18/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeySYTRIMFWAGXSMA-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
CID 39186063
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-chlorobenzamide
CID 39184820
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide
CID 39184782
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide
CID 39184908
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide
CID 39185496
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
N-(2-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4199115

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide (CID 39186055) is N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(NC(=O)CN)cc2Cl)c1.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide?
The InChIKey is SYTRIMFWAGXSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-10-3-2-4-11(7-10)16(22)20-14-6-5-12(8-13(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-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide?
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide has a molecular weight of 317.78 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide is sourced from PubChem (CID 39186055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).