N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide

C13H17ClN2O2 — CID 168638334

IUPACN-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCC(O)CCl)cc1)C1CC1
InChIInChI=1S/C13H17ClN2O2/c14-7-12(17)8-15-10-3-5-11(6-4-10)16-13(18)9-1-2-9/h3-6,9,12,15,17H,1-2,7-8H2,(H,16,18)
InChIKeyPVKUGADQUBWZMA-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.05
Rot. Bonds6

About N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide

N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 168638334) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID168638334
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCC(O)CCl)cc1)C1CC1
InChIInChI=1S/C13H17ClN2O2/c14-7-12(17)8-15-10-3-5-11(6-4-10)16-13(18)9-1-2-9/h3-6,9,12,15,17H,1-2,7-8H2,(H,16,18)
InChIKeyPVKUGADQUBWZMA-UHFFFAOYSA-N
XLogP2.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol
CID 168640286
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide
CID 110006449
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide (CID 168638334) is N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(NCC(O)CCl)cc1)C1CC1.
What is the InChIKey of N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is PVKUGADQUBWZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-7-12(17)8-15-10-3-5-11(6-4-10)16-13(18)9-1-2-9/h3-6,9,12,15,17H,1-2,7-8H2,(H,16,18).
What are the key properties of N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide?
N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 168638334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).