2-amino-3-chloro-N-pentylpropanamide

C8H17ClN2O — CID 18966849

IUPAC2-amino-3-chloro-N-pentylpropanamide
SMILESCCCCCNC(=O)C(N)CCl
InChIInChI=1S/C8H17ClN2O/c1-2-3-4-5-11-8(12)7(10)6-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyKRTOGJKGLOOEEC-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.86
Rot. Bonds6

About 2-amino-3-chloro-N-pentylpropanamide

2-amino-3-chloro-N-pentylpropanamide (PubChem CID 18966849) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 2-amino-3-chloro-N-pentylpropanamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-pentylpropanamide
PubChem CID18966849
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name2-amino-3-chloro-N-pentylpropanamide
SMILESCCCCCNC(=O)C(N)CCl
InChIInChI=1S/C8H17ClN2O/c1-2-3-4-5-11-8(12)7(10)6-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyKRTOGJKGLOOEEC-UHFFFAOYSA-N
XLogP0.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
2-amino-N-hexylhexanamide
CID 60852762
2,3-diamino-N-octadecylpropanamide
CID 158457421
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-butyl-4-chlorobutanamide
CID 169302216
(3S)-3-amino-4-(dodecylamino)-4-oxobutanoic acid
CID 87318913
(3S)-3-amino-4-(octadecylamino)-4-oxobutanoic acid
CID 87319026
(3S)-3-amino-4-(nonylamino)-4-oxobutanoic acid
CID 87588686
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-pentylpropanamide?
The IUPAC name of 2-amino-3-chloro-N-pentylpropanamide (CID 18966849) is 2-amino-3-chloro-N-pentylpropanamide.
What is the SMILES notation for 2-amino-3-chloro-N-pentylpropanamide?
The canonical SMILES for 2-amino-3-chloro-N-pentylpropanamide is CCCCCNC(=O)C(N)CCl.
What is the InChIKey of 2-amino-3-chloro-N-pentylpropanamide?
The InChIKey is KRTOGJKGLOOEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O/c1-2-3-4-5-11-8(12)7(10)6-9/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-chloro-N-pentylpropanamide?
2-amino-3-chloro-N-pentylpropanamide has a molecular weight of 192.69 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-pentylpropanamide is sourced from PubChem (CID 18966849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).