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

C16H18ClN3O2 — CID 168638648

IUPAC2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccccc1NCC(O)CCl
InChIInChI=1S/C16H18ClN3O2/c17-9-13(21)11-19-15-7-2-1-6-14(15)16(22)20-10-12-5-3-4-8-18-12/h1-8,13,19,21H,9-11H2,(H,20,22)
InChIKeyYNNWHBWYJRWBFF-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.02
Rot. Bonds7

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

2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 168638648) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID168638648
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccccc1NCC(O)CCl
InChIInChI=1S/C16H18ClN3O2/c17-9-13(21)11-19-15-7-2-1-6-14(15)16(22)20-10-12-5-3-4-8-18-12/h1-8,13,19,21H,9-11H2,(H,20,22)
InChIKeyYNNWHBWYJRWBFF-UHFFFAOYSA-N
XLogP2.02
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167697
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide
CID 168639161
2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide
CID 25469086
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide (CID 168638648) is 2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccccc1NCC(O)CCl.
What is the InChIKey of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YNNWHBWYJRWBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-9-13(21)11-19-15-7-2-1-6-14(15)16(22)20-10-12-5-3-4-8-18-12/h1-8,13,19,21H,9-11H2,(H,20,22).
What are the key properties of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 319.79 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 168638648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).