N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide

C9H17Cl2NO — CID 82080941

IUPACN-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide
SMILESCC(=O)N(CC(C)Cl)C(C)(C)CCl
InChIInChI=1S/C9H17Cl2NO/c1-7(11)5-12(8(2)13)9(3,4)6-10/h7H,5-6H2,1-4H3
InChIKeySNSZWDBSIZJPIT-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.48
Rot. Bonds4

About N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide

N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide (PubChem CID 82080941) has the molecular formula C9H17Cl2NO and a molecular weight of 226.15 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide
PubChem CID82080941
Molecular FormulaC9H17Cl2NO
Molecular Weight226.15 g/mol
Exact Mass225.07
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide
SMILESCC(=O)N(CC(C)Cl)C(C)(C)CCl
InChIInChI=1S/C9H17Cl2NO/c1-7(11)5-12(8(2)13)9(3,4)6-10/h7H,5-6H2,1-4H3
InChIKeySNSZWDBSIZJPIT-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.48
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

N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide
CID 82078169
N-(2-chloroethyl)-N-(2-chloropropyl)acetamide
CID 82076228
N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane
CID 54376084
3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
CID 82945442
propan-2-one;1,1,1,2-tetrachloroethane
CID 19428789
N-tert-butyl-N-(3-hydroxypropyl)acetamide
CID 138079475
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
2-chloro-N,N-bis(2-chloropropyl)propan-1-amine;hydrochloride
CID 3025277
1,3-dichloro-2-methylbutan-2-ol
CID 55302434
2-[bis(2-chloropropyl)amino]-3-hydroxypropanoic acid
CID 22316289
N-(2-chloropropyl)-N-methylcycloheptanecarboxamide
CID 63393755
3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
CID 63680154

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide (CID 82080941) is N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide is CC(=O)N(CC(C)Cl)C(C)(C)CCl.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide?
The InChIKey is SNSZWDBSIZJPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2NO/c1-7(11)5-12(8(2)13)9(3,4)6-10/h7H,5-6H2,1-4H3.
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide?
N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide has a molecular weight of 226.15 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide is sourced from PubChem (CID 82080941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).