N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide

C14H17ClN2O2 — CID 113052148

IUPACN-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c1-10(18)17(13-5-6-13)8-7-16-14(19)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8H2,1H3,(H,16,19)
InChIKeyUPTGEMFMDCOKFW-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.08
Rot. Bonds5

About N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide

N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide (PubChem CID 113052148) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
PubChem CID113052148
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c1-10(18)17(13-5-6-13)8-7-16-14(19)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8H2,1H3,(H,16,19)
InChIKeyUPTGEMFMDCOKFW-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid
CID 60827367
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-3-chlorobenzamide
CID 113054357
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
CID 113061451
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide
CID 113056033
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide (CID 113052148) is N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide is CC(=O)N(CCNC(=O)c1cccc(Cl)c1)C1CC1.
What is the InChIKey of N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide?
The InChIKey is UPTGEMFMDCOKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10(18)17(13-5-6-13)8-7-16-14(19)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8H2,1H3,(H,16,19).
What are the key properties of N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide?
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide has a molecular weight of 280.75 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide is sourced from PubChem (CID 113052148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).