2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide

C13H14Cl2N2O3 — CID 86797002

IUPAC2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1(CO)CC1
InChIInChI=1S/C13H14Cl2N2O3/c14-8-1-2-9(10(15)5-8)12(20)16-6-11(19)17-13(7-18)3-4-13/h1-2,5,18H,3-4,6-7H2,(H,16,20)(H,17,19)
InChIKeyKVIHDGKZBKSJIJ-UHFFFAOYSA-N
MW317.17 g/mol
LogP1.36
Rot. Bonds5

About 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide (PubChem CID 86797002) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide
PubChem CID86797002
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1(CO)CC1
InChIInChI=1S/C13H14Cl2N2O3/c14-8-1-2-9(10(15)5-8)12(20)16-6-11(19)17-13(7-18)3-4-13/h1-2,5,18H,3-4,6-7H2,(H,16,20)(H,17,19)
InChIKeyKVIHDGKZBKSJIJ-UHFFFAOYSA-N
XLogP1.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764583
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988
2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-2,4-dichlorobenzamide
CID 5031566

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide (CID 86797002) is 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1(CO)CC1.
What is the InChIKey of 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide?
The InChIKey is KVIHDGKZBKSJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-8-1-2-9(10(15)5-8)12(20)16-6-11(19)17-13(7-18)3-4-13/h1-2,5,18H,3-4,6-7H2,(H,16,20)(H,17,19).
What are the key properties of 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide has a molecular weight of 317.17 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86797002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).