3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide

C14H21ClN2O2 — CID 168637498

IUPAC3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC(O)CCl)c1
InChIInChI=1S/C14H21ClN2O2/c1-3-17(4-2)14(19)11-6-5-7-12(8-11)16-10-13(18)9-15/h5-8,13,16,18H,3-4,9-10H2,1-2H3
InChIKeyFQETTZFASNCGJD-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.18
Rot. Bonds7

About 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide

3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide (PubChem CID 168637498) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
PubChem CID168637498
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC(O)CCl)c1
InChIInChI=1S/C14H21ClN2O2/c1-3-17(4-2)14(19)11-6-5-7-12(8-11)16-10-13(18)9-15/h5-8,13,16,18H,3-4,9-10H2,1-2H3
InChIKeyFQETTZFASNCGJD-UHFFFAOYSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.18
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

3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide
CID 168638185
N-benzyl-3-[(3-chloro-2-hydroxypropyl)amino]benzamide
CID 168639394
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide
CID 168636757
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743
3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methylphenyl)benzamide
CID 168638216
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide
CID 43107017
tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate
CID 113268202

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide (CID 168637498) is 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NCC(O)CCl)c1.
What is the InChIKey of 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide?
The InChIKey is FQETTZFASNCGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-17(4-2)14(19)11-6-5-7-12(8-11)16-10-13(18)9-15/h5-8,13,16,18H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide?
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide has a molecular weight of 284.79 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 168637498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).