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

C16H17ClN2O2 — CID 168636757

IUPACN-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NCC(O)CCl)c1)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-10-15(20)11-18-13-7-4-8-14(9-13)19-16(21)12-5-2-1-3-6-12/h1-9,15,18,20H,10-11H2,(H,19,21)
InChIKeyYEALXYAEPOUACF-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.95
Rot. Bonds6

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

N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide (PubChem CID 168636757) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide
PubChem CID168636757
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NCC(O)CCl)c1)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-10-15(20)11-18-13-7-4-8-14(9-13)19-16(21)12-5-2-1-3-6-12/h1-9,15,18,20H,10-11H2,(H,19,21)
InChIKeyYEALXYAEPOUACF-UHFFFAOYSA-N
XLogP2.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.95
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

3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide
CID 168638185
3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methylphenyl)benzamide
CID 168638216
N-benzyl-3-[(3-chloro-2-hydroxypropyl)amino]benzamide
CID 168639394
1-anilino-3-chloropropan-2-ol
CID 3640254
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
CID 168637498
5-[[3-(2,3-dihydroxypropylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 168595086
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide?
The IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide (CID 168636757) is N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide?
The canonical SMILES for N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide is O=C(Nc1cccc(NCC(O)CCl)c1)c1ccccc1.
What is the InChIKey of N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide?
The InChIKey is YEALXYAEPOUACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-10-15(20)11-18-13-7-4-8-14(9-13)19-16(21)12-5-2-1-3-6-12/h1-9,15,18,20H,10-11H2,(H,19,21).
What are the key properties of N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide?
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide is sourced from PubChem (CID 168636757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).