N-benzyl-2-(chloromethyl)-3-methoxypropanamide

C12H16ClNO2 — CID 143985847

IUPACN-benzyl-2-(chloromethyl)-3-methoxypropanamide
SMILESCOCC(CCl)C(=O)NCc1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-16-9-11(7-13)12(15)14-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)
InChIKeyXMAMJLLZLJPNDY-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.80
Rot. Bonds6

About N-benzyl-2-(chloromethyl)-3-methoxypropanamide

N-benzyl-2-(chloromethyl)-3-methoxypropanamide (PubChem CID 143985847) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-benzyl-2-(chloromethyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-benzyl-2-(chloromethyl)-3-methoxypropanamide
PubChem CID143985847
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-benzyl-2-(chloromethyl)-3-methoxypropanamide
SMILESCOCC(CCl)C(=O)NCc1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-16-9-11(7-13)12(15)14-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)
InChIKeyXMAMJLLZLJPNDY-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
(2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid
CID 160800374
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-methylpropyl (2R)-3-(benzylamino)-2-(methoxymethyl)-3-oxopropanoate
CID 141445219
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 56960724
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide
CID 10979254
methyl 3-(benzylamino)-2-methoxy-3-oxopropanoate
CID 121013025
1-benzyl-3-(2-methoxyethoxy)urea
CID 110642709

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(chloromethyl)-3-methoxypropanamide?
The IUPAC name of N-benzyl-2-(chloromethyl)-3-methoxypropanamide (CID 143985847) is N-benzyl-2-(chloromethyl)-3-methoxypropanamide.
What is the SMILES notation for N-benzyl-2-(chloromethyl)-3-methoxypropanamide?
The canonical SMILES for N-benzyl-2-(chloromethyl)-3-methoxypropanamide is COCC(CCl)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(chloromethyl)-3-methoxypropanamide?
The InChIKey is XMAMJLLZLJPNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-9-11(7-13)12(15)14-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15).
What are the key properties of N-benzyl-2-(chloromethyl)-3-methoxypropanamide?
N-benzyl-2-(chloromethyl)-3-methoxypropanamide has a molecular weight of 241.72 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(chloromethyl)-3-methoxypropanamide is sourced from PubChem (CID 143985847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).