3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide

C10H20ClNO — CID 62726602

IUPAC3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)N(C)C(=O)C(C)CCl
InChIInChI=1S/C10H20ClNO/c1-5-6-9(3)12(4)10(13)8(2)7-11/h8-9H,5-7H2,1-4H3
InChIKeyJMQNPGFFJODCQC-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.51
Rot. Bonds5

About 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide

3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide (PubChem CID 62726602) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
PubChem CID62726602
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)N(C)C(=O)C(C)CCl
InChIInChI=1S/C10H20ClNO/c1-5-6-9(3)12(4)10(13)8(2)7-11/h8-9H,5-7H2,1-4H3
InChIKeyJMQNPGFFJODCQC-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylbutanamide
CID 61154897
N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide
CID 104555861
(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide
CID 61173173
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
CID 62727054
N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide
CID 62728337
2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide
CID 116674919
ethyl 3,3-dimethyl-2-[methyl(pentan-2-yl)carbamoyl]butanoate
CID 116537775
N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane
CID 142005594
3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide
CID 104551595
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide (CID 62726602) is 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide is CCCC(C)N(C)C(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide?
The InChIKey is JMQNPGFFJODCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-5-6-9(3)12(4)10(13)8(2)7-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide?
3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide has a molecular weight of 205.73 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide is sourced from PubChem (CID 62726602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).