N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide

C13H21ClN2O2 — CID 55233841

IUPACN-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide
SMILESCN(CC1CC2CCC1C2)C(=O)NC(=O)CCCl
InChIInChI=1S/C13H21ClN2O2/c1-16(13(18)15-12(17)4-5-14)8-11-7-9-2-3-10(11)6-9/h9-11H,2-8H2,1H3,(H,15,17,18)
InChIKeyKANOECWJPJVTKC-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.22
Rot. Bonds4

About N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide

N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide (PubChem CID 55233841) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide
PubChem CID55233841
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide
SMILESCN(CC1CC2CCC1C2)C(=O)NC(=O)CCCl
InChIInChI=1S/C13H21ClN2O2/c1-16(13(18)15-12(17)4-5-14)8-11-7-9-2-3-10(11)6-9/h9-11H,2-8H2,1H3,(H,15,17,18)
InChIKeyKANOECWJPJVTKC-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.22
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-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-2-chloropropanamide
CID 63684997
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 77017047
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea
CID 116656057
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682043
(2S)-2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682031
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 63682050
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-hydroxy-N-methylpentanamide
CID 79199997
3-[[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81068551
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide (CID 55233841) is N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide is CN(CC1CC2CCC1C2)C(=O)NC(=O)CCCl.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide?
The InChIKey is KANOECWJPJVTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-16(13(18)15-12(17)4-5-14)8-11-7-9-2-3-10(11)6-9/h9-11H,2-8H2,1H3,(H,15,17,18).
What are the key properties of N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide?
N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide has a molecular weight of 272.78 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide is sourced from PubChem (CID 55233841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).