N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide

C11H19ClN2O2 — CID 61444003

IUPACN-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide
SMILESCCCCN(C(=O)NC(=O)CCCl)C1CC1
InChIInChI=1S/C11H19ClN2O2/c1-2-3-8-14(9-4-5-9)11(16)13-10(15)6-7-12/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyJSINISKASSAXKD-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.12
Rot. Bonds6

About N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide

N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide (PubChem CID 61444003) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide.

Molecular Properties

Compound NameN-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide
PubChem CID61444003
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC NameN-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide
SMILESCCCCN(C(=O)NC(=O)CCCl)C1CC1
InChIInChI=1S/C11H19ClN2O2/c1-2-3-8-14(9-4-5-9)11(16)13-10(15)6-7-12/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyJSINISKASSAXKD-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.12
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]-2-chloroacetamide
CID 61444001
4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299840
1-butyl-1,3-dicyclopropylurea
CID 115579407
N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide
CID 54987842
3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide
CID 43146223
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61452865
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
N-(2-chloroethyl)-N-cyclopropylbutanamide
CID 63394479
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64818273

Frequently Asked Questions

What is the IUPAC name of N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide?
The IUPAC name of N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide (CID 61444003) is N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide.
What is the SMILES notation for N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide?
The canonical SMILES for N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide is CCCCN(C(=O)NC(=O)CCCl)C1CC1.
What is the InChIKey of N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide?
The InChIKey is JSINISKASSAXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-2-3-8-14(9-4-5-9)11(16)13-10(15)6-7-12/h9H,2-8H2,1H3,(H,13,15,16).
What are the key properties of N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide?
N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide has a molecular weight of 246.74 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide is sourced from PubChem (CID 61444003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).