N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide

C15H20ClNO — CID 60950057

IUPACN-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide
SMILESCCCCN(C(=O)C(Cl)c1ccccc1)C1CC1
InChIInChI=1S/C15H20ClNO/c1-2-3-11-17(13-9-10-13)15(18)14(16)12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-11H2,1H3
InChIKeyXGMUDRHVCSYSDC-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.76
Rot. Bonds6

About N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide

N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide (PubChem CID 60950057) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide
PubChem CID60950057
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide
SMILESCCCCN(C(=O)C(Cl)c1ccccc1)C1CC1
InChIInChI=1S/C15H20ClNO/c1-2-3-11-17(13-9-10-13)15(18)14(16)12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-11H2,1H3
InChIKeyXGMUDRHVCSYSDC-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.76
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

2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 43578971
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861176
3-amino-N-butyl-N-cyclopropyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876538
2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61167971
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592
3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methyl-3-phenylpropanamide
CID 119682487
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246
N-(3-aminopropyl)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 62103976
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
CID 82960088
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
1-chloro-1-phenyldecan-2-one
CID 81235866

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide (CID 60950057) is N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide is CCCCN(C(=O)C(Cl)c1ccccc1)C1CC1.
What is the InChIKey of N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide?
The InChIKey is XGMUDRHVCSYSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-3-11-17(13-9-10-13)15(18)14(16)12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-11H2,1H3.
What are the key properties of N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide?
N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide has a molecular weight of 265.78 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 60950057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).