N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide

C10H20ClNO — CID 63679965

IUPACN-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
SMILESCCC(C)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO/c1-6-8(2)12(5)9(13)10(3,4)7-11/h8H,6-7H2,1-5H3
InChIKeyBRNLUXBOTYDNNR-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.51
Rot. Bonds4

About N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide

N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide (PubChem CID 63679965) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
PubChem CID63679965
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
SMILESCCC(C)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO/c1-6-8(2)12(5)9(13)10(3,4)7-11/h8H,6-7H2,1-5H3
InChIKeyBRNLUXBOTYDNNR-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide?
The IUPAC name of N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide (CID 63679965) is N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide?
The canonical SMILES for N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide is CCC(C)N(C)C(=O)C(C)(C)CCl.
What is the InChIKey of N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide?
The InChIKey is BRNLUXBOTYDNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-6-8(2)12(5)9(13)10(3,4)7-11/h8H,6-7H2,1-5H3.
What are the key properties of N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide?
N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide has a molecular weight of 205.73 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide is sourced from PubChem (CID 63679965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).