N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide

C16H21ClN2O3 — CID 48521300

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)OCC2CC2)c1
InChIInChI=1S/C16H21ClN2O3/c1-3-15(20)18-12-6-7-13(17)14(8-12)19-16(21)10(2)22-9-11-4-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYYDZFQRCFGGOTK-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.44
Rot. Bonds7

About N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide

N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide (PubChem CID 48521300) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide
PubChem CID48521300
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)OCC2CC2)c1
InChIInChI=1S/C16H21ClN2O3/c1-3-15(20)18-12-6-7-13(17)14(8-12)19-16(21)10(2)22-9-11-4-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYYDZFQRCFGGOTK-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 3252101
N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
CID 62382552
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide
CID 48500260
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054
(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide
CID 97342418
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431
4-[[2-chloro-5-(propanoylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076486
2-(cyclopropylmethoxy)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 48530161
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852166
N-[3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
CID 17174576
N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
CID 17174596
N-[4-chloro-3-[(2-methylcyclopentyl)amino]phenyl]propanamide
CID 65044068

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide (CID 48521300) is N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)OCC2CC2)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide?
The InChIKey is YYDZFQRCFGGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-3-15(20)18-12-6-7-13(17)14(8-12)19-16(21)10(2)22-9-11-4-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide?
N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide has a molecular weight of 324.81 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 48521300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).