N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide

C14H18ClNO — CID 166403801

IUPACN-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
SMILESO=C(CCl)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C14H18ClNO/c15-9-14(17)16(11-13-7-4-8-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyOEGOMCURXHYIMR-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.05
Rot. Bonds5

About N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide

N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide (PubChem CID 166403801) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
PubChem CID166403801
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
SMILESO=C(CCl)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C14H18ClNO/c15-9-14(17)16(11-13-7-4-8-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyOEGOMCURXHYIMR-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.05
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

benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975549
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]butanoic acid
CID 122021483
N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide
CID 3348745
5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685289
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
CID 119305518

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide?
The IUPAC name of N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide (CID 166403801) is N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide is O=C(CCl)N(Cc1ccccc1)CC1CCC1.
What is the InChIKey of N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide?
The InChIKey is OEGOMCURXHYIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-9-14(17)16(11-13-7-4-8-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2.
What are the key properties of N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide?
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide has a molecular weight of 251.76 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide is sourced from PubChem (CID 166403801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).