5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide

C8H16ClNO3 — CID 65312302

IUPAC5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide
SMILESO=C(CCCCCl)NC(CO)CO
InChIInChI=1S/C8H16ClNO3/c9-4-2-1-3-8(13)10-7(5-11)6-12/h7,11-12H,1-6H2,(H,10,13)
InChIKeyHBNUNQTYEWAVQF-UHFFFAOYSA-N
MW209.67 g/mol
LogP-0.14
Rot. Bonds7

About 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide

5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide (PubChem CID 65312302) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide
PubChem CID65312302
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide
SMILESO=C(CCCCCl)NC(CO)CO
InChIInChI=1S/C8H16ClNO3/c9-4-2-1-3-8(13)10-7(5-11)6-12/h7,11-12H,1-6H2,(H,10,13)
InChIKeyHBNUNQTYEWAVQF-UHFFFAOYSA-N
XLogP-0.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
CID 61251203
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314276
4-chloro-N-pentan-3-ylbutanamide
CID 16788679
5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide
CID 115749589
5-chloro-N-(2,3-dihydroxypropyl)pentanamide
CID 66168263
3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
CID 106186140
(2S)-2-(4-chlorobutanoylamino)propanoic acid
CID 18600219
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide?
The IUPAC name of 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide (CID 65312302) is 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide is O=C(CCCCCl)NC(CO)CO.
What is the InChIKey of 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide?
The InChIKey is HBNUNQTYEWAVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3/c9-4-2-1-3-8(13)10-7(5-11)6-12/h7,11-12H,1-6H2,(H,10,13).
What are the key properties of 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide?
5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide has a molecular weight of 209.67 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide is sourced from PubChem (CID 65312302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).