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

C16H16ClN3O2 — CID 39184468

IUPACN-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide
SMILESNCC(=O)Nc1cc(NC(=O)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C16H16ClN3O2/c17-13-7-6-12(9-14(13)20-16(22)10-18)19-15(21)8-11-4-2-1-3-5-11/h1-7,9H,8,10,18H2,(H,19,21)(H,20,22)
InChIKeyDNWXQLOZDLWJIN-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.42
Rot. Bonds5

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

N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide (PubChem CID 39184468) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide
PubChem CID39184468
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide
SMILESNCC(=O)Nc1cc(NC(=O)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C16H16ClN3O2/c17-13-7-6-12(9-14(13)20-16(22)10-18)19-15(21)8-11-4-2-1-3-5-11/h1-7,9H,8,10,18H2,(H,19,21)(H,20,22)
InChIKeyDNWXQLOZDLWJIN-UHFFFAOYSA-N
XLogP2.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-chloro-3-[(2-phenylacetyl)amino]anilino]-4-oxobut-2-enoic acid
CID 2895876
(Z)-4-[4-chloro-3-[(2-phenylacetyl)amino]anilino]-4-oxobut-2-enoic acid
CID 2278101
(Z)-4-[4-chloro-3-[(2-phenylacetyl)amino]anilino]-4-oxobut-2-enoate
CID 2278100
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide
CID 39184440
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-chlorobenzamide
CID 39184820
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
CID 43714080
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
CID 60847975
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide (CID 39184468) is N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide is NCC(=O)Nc1cc(NC(=O)Cc2ccccc2)ccc1Cl.
What is the InChIKey of N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide?
The InChIKey is DNWXQLOZDLWJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-13-7-6-12(9-14(13)20-16(22)10-18)19-15(21)8-11-4-2-1-3-5-11/h1-7,9H,8,10,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide?
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide has a molecular weight of 317.78 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide is sourced from PubChem (CID 39184468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).