N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide

C18H21ClN2O4 — CID 168638485

IUPACN-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCC(O)CCl)cc2OC)cc1
InChIInChI=1S/C18H21ClN2O4/c1-24-15-6-3-12(4-7-15)18(23)21-16-8-5-13(9-17(16)25-2)20-11-14(22)10-19/h3-9,14,20,22H,10-11H2,1-2H3,(H,21,23)
InChIKeySDLKTJHIJWUSOW-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.97
Rot. Bonds8

About N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide

N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide (PubChem CID 168638485) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide
PubChem CID168638485
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC NameN-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCC(O)CCl)cc2OC)cc1
InChIInChI=1S/C18H21ClN2O4/c1-24-15-6-3-12(4-7-15)18(23)21-16-8-5-13(9-17(16)25-2)20-11-14(22)10-19/h3-9,14,20,22H,10-11H2,1-2H3,(H,21,23)
InChIKeySDLKTJHIJWUSOW-UHFFFAOYSA-N
XLogP2.97
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide
CID 168636880
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
methyl 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]acetate
CID 168637909
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
4-methoxy-N-(2-methoxy-4-prop-1-enylphenyl)benzamide
CID 59979422
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 168640663
2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 1319753
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide (CID 168638485) is N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(NCC(O)CCl)cc2OC)cc1.
What is the InChIKey of N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide?
The InChIKey is SDLKTJHIJWUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-24-15-6-3-12(4-7-15)18(23)21-16-8-5-13(9-17(16)25-2)20-11-14(22)10-19/h3-9,14,20,22H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide?
N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide has a molecular weight of 364.83 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide is sourced from PubChem (CID 168638485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).