N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide

C14H18ClNO2 — CID 144753174

IUPACN-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESCC(Cl)C(=O)N(Cc1ccccc1)C1(CO)CC1
InChIInChI=1S/C14H18ClNO2/c1-11(15)13(18)16(14(10-17)7-8-14)9-12-5-3-2-4-6-12/h2-6,11,17H,7-10H2,1H3
InChIKeyQYEDCMQATXEVBK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.17
Rot. Bonds5

About N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide

N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide (PubChem CID 144753174) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide
PubChem CID144753174
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESCC(Cl)C(=O)N(Cc1ccccc1)C1(CO)CC1
InChIInChI=1S/C14H18ClNO2/c1-11(15)13(18)16(14(10-17)7-8-14)9-12-5-3-2-4-6-12/h2-6,11,17H,7-10H2,1H3
InChIKeyQYEDCMQATXEVBK-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-tert-butyl-2-chloropropanamide
CID 131021272
2-[benzyl(propan-2-yl)amino]-3-methylbutanoic acid
CID 20993417
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
4-chloro-2-methyl-1-phenylpentan-3-one
CID 15444575
benzyl(butan-2-yl)carbamic acid
CID 18954164
(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 15533413
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide
CID 810234
[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride
CID 129278977
N-benzyl-3-cyano-N,2-dimethylpropanamide
CID 82113791
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
N-benzyl-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 113198160

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The IUPAC name of N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide (CID 144753174) is N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide.
What is the SMILES notation for N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The canonical SMILES for N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide is CC(Cl)C(=O)N(Cc1ccccc1)C1(CO)CC1.
What is the InChIKey of N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The InChIKey is QYEDCMQATXEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-11(15)13(18)16(14(10-17)7-8-14)9-12-5-3-2-4-6-12/h2-6,11,17H,7-10H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide has a molecular weight of 267.76 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]propanamide is sourced from PubChem (CID 144753174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).