4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide

C18H21ClN2O3 — CID 119804080

IUPAC4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)COCc1ccccc1
InChIInChI=1S/C18H21ClN2O3/c1-12(10-24-11-13-6-4-3-5-7-13)21-18(22)14-8-15(19)16(20)9-17(14)23-2/h3-9,12H,10-11,20H2,1-2H3,(H,21,22)
InChIKeyBZJRVWDYYLAQAD-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.27
Rot. Bonds7

About 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide

4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide (PubChem CID 119804080) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
PubChem CID119804080
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)COCc1ccccc1
InChIInChI=1S/C18H21ClN2O3/c1-12(10-24-11-13-6-4-3-5-7-13)21-18(22)14-8-15(19)16(20)9-17(14)23-2/h3-9,12H,10-11,20H2,1-2H3,(H,21,22)
InChIKeyBZJRVWDYYLAQAD-UHFFFAOYSA-N
XLogP3.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 119742833
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 7356959
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
4-amino-N-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]methyl]-5-chloro-2-methoxybenzamide
CID 10407929
4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride
CID 119722929
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide
CID 110465014

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide (CID 119804080) is 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide is COc1cc(N)c(Cl)cc1C(=O)NC(C)COCc1ccccc1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide?
The InChIKey is BZJRVWDYYLAQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12(10-24-11-13-6-4-3-5-7-13)21-18(22)14-8-15(19)16(20)9-17(14)23-2/h3-9,12H,10-11,20H2,1-2H3,(H,21,22).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide?
4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide has a molecular weight of 348.83 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide is sourced from PubChem (CID 119804080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).