N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide

C19H21ClN2O — CID 112815872

IUPACN-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide
SMILESCCC(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-2-18(14-5-3-6-15(20)11-14)21-16-7-4-8-17(12-16)22-19(23)13-9-10-13/h3-8,11-13,18,21H,2,9-10H2,1H3,(H,22,23)
InChIKeyMOGCMNCCZUEDNA-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.25
Rot. Bonds6

About N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide

N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide (PubChem CID 112815872) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide
PubChem CID112815872
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide
SMILESCCC(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-2-18(14-5-3-6-15(20)11-14)21-16-7-4-8-17(12-16)22-19(23)13-9-10-13/h3-8,11-13,18,21H,2,9-10H2,1H3,(H,22,23)
InChIKeyMOGCMNCCZUEDNA-UHFFFAOYSA-N
XLogP5.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115667883
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-[1-(4-chlorophenyl)propylamino]phenyl]acetamide
CID 43095855
4-[1-(3-chlorophenyl)propylamino]benzoic acid
CID 43321653
N-[1-(3-chlorophenyl)propyl]-3-ethynylaniline
CID 43102881
2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide (CID 112815872) is N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide is CCC(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is MOGCMNCCZUEDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-2-18(14-5-3-6-15(20)11-14)21-16-7-4-8-17(12-16)22-19(23)13-9-10-13/h3-8,11-13,18,21H,2,9-10H2,1H3,(H,22,23).
What are the key properties of N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide?
N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 328.84 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112815872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).