2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide

C12H15ClN2O3 — CID 114253205

IUPAC2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide
SMILESCOCc1ccc(NC(=O)NC(=O)C(C)Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(13)11(16)15-12(17)14-10-5-3-9(4-6-10)7-18-2/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyITFMMCXHRDKBKO-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.11
Rot. Bonds4

About 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide

2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide (PubChem CID 114253205) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide
PubChem CID114253205
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide
SMILESCOCc1ccc(NC(=O)NC(=O)C(C)Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(13)11(16)15-12(17)14-10-5-3-9(4-6-10)7-18-2/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyITFMMCXHRDKBKO-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328949
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
N-[(4-bromo-3-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 82860607
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 124854866
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea
CID 119049795
2-[[4-(methoxymethyl)phenyl]carbamoylamino]pentanedioic acid
CID 142867656
2-methoxy-N-[4-[[4-(methoxymethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55697500
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7587765
2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide
CID 62811714
[4-[(2,2-dichloroacetyl)amino]phenyl]methyl carbonochloridate
CID 139035815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide (CID 114253205) is 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide is COCc1ccc(NC(=O)NC(=O)C(C)Cl)cc1.
What is the InChIKey of 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide?
The InChIKey is ITFMMCXHRDKBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(13)11(16)15-12(17)14-10-5-3-9(4-6-10)7-18-2/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide?
2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide has a molecular weight of 270.72 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide is sourced from PubChem (CID 114253205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).