2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide

C18H19ClN2O2 — CID 9104877

IUPAC2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
SMILESCc1ccccc1CNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-13-6-2-3-7-14(13)12-21-17(22)10-11-20-18(23)15-8-4-5-9-16(15)19/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyHXSYFFCEQKGVLS-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.08
Rot. Bonds6

About 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide

2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 9104877) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
PubChem CID9104877
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
SMILESCc1ccccc1CNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-13-6-2-3-7-14(13)12-21-17(22)10-11-20-18(23)15-8-4-5-9-16(15)19/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyHXSYFFCEQKGVLS-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 7700839
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9480573
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
CID 7962772
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide (CID 9104877) is 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide is Cc1ccccc1CNC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is HXSYFFCEQKGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-6-2-3-7-14(13)12-21-17(22)10-11-20-18(23)15-8-4-5-9-16(15)19/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9104877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).