N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide

C15H13Cl2N3O2 — CID 39192788

IUPACN-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide
SMILESNCC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2/c16-10-3-1-9(2-4-10)15(22)20-12-6-5-11(17)7-13(12)19-14(21)8-18/h1-7H,8,18H2,(H,19,21)(H,20,22)
InChIKeyLVLWNAJKBHAYDL-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.14
Rot. Bonds4

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

N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide (PubChem CID 39192788) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide
PubChem CID39192788
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC NameN-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide
SMILESNCC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2/c16-10-3-1-9(2-4-10)15(22)20-12-6-5-11(17)7-13(12)19-14(21)8-18/h1-7H,8,18H2,(H,19,21)(H,20,22)
InChIKeyLVLWNAJKBHAYDL-UHFFFAOYSA-N
XLogP3.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
CID 39184018
N-[2-[(2-aminoacetyl)amino]phenyl]-3-chlorobenzamide
CID 39184246
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-(2-amino-5-chlorophenyl)-4-hydroxybenzamide
CID 18070438
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-chlorobenzamide
CID 60813543

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide (CID 39192788) is N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide is NCC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide?
The InChIKey is LVLWNAJKBHAYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-10-3-1-9(2-4-10)15(22)20-12-6-5-11(17)7-13(12)19-14(21)8-18/h1-7H,8,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide?
N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide has a molecular weight of 338.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide is sourced from PubChem (CID 39192788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).