N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide

C10H17ClN2O2 — CID 61444001

IUPACN-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide
SMILESCCCCN(C(=O)NC(=O)CCl)C1CC1
InChIInChI=1S/C10H17ClN2O2/c1-2-3-6-13(8-4-5-8)10(15)12-9(14)7-11/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyOWRAXZFKFCJBSU-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.73
Rot. Bonds5

About N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide

N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide (PubChem CID 61444001) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide
PubChem CID61444001
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC NameN-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide
SMILESCCCCN(C(=O)NC(=O)CCl)C1CC1
InChIInChI=1S/C10H17ClN2O2/c1-2-3-6-13(8-4-5-8)10(15)12-9(14)7-11/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyOWRAXZFKFCJBSU-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.73
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-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide
CID 61444003
4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299840
N-[butyl(methyl)carbamoyl]-2-chloroacetamide
CID 43114794
1-butyl-1,3-dicyclopropylurea
CID 115579407
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64818273
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide
CID 43614380
3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide
CID 61443811
6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287303
2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223685
(2R)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005491

Frequently Asked Questions

What is the IUPAC name of N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide?
The IUPAC name of N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide (CID 61444001) is N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide.
What is the SMILES notation for N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide?
The canonical SMILES for N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide is CCCCN(C(=O)NC(=O)CCl)C1CC1.
What is the InChIKey of N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide?
The InChIKey is OWRAXZFKFCJBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-2-3-6-13(8-4-5-8)10(15)12-9(14)7-11/h8H,2-7H2,1H3,(H,12,14,15).
What are the key properties of N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide?
N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide has a molecular weight of 232.71 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide is sourced from PubChem (CID 61444001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).