N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide

C20H24ClN3O2 — CID 50881773

IUPACN-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC3CCCCC3)c(N)cc2Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-26-15-9-7-13(8-10-15)20(25)24-18-12-19(17(22)11-16(18)21)23-14-5-3-2-4-6-14/h7-12,14,23H,2-6,22H2,1H3,(H,24,25)
InChIKeyWMDQGSQFFPRQRX-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.93
Rot. Bonds5

About N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide

N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide (PubChem CID 50881773) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide
PubChem CID50881773
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC3CCCCC3)c(N)cc2Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-26-15-9-7-13(8-10-15)20(25)24-18-12-19(17(22)11-16(18)21)23-14-5-3-2-4-6-14/h7-12,14,23H,2-6,22H2,1H3,(H,24,25)
InChIKeyWMDQGSQFFPRQRX-UHFFFAOYSA-N
XLogP4.93
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-propan-2-ylbenzamide
CID 50881614
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
N-[2-chloro-5-(cyclohexylamino)-4-nitrophenyl]-3-methoxybenzamide
CID 50881695
4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 166323103
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
CID 109152462
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide (CID 50881773) is N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(NC3CCCCC3)c(N)cc2Cl)cc1.
What is the InChIKey of N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide?
The InChIKey is WMDQGSQFFPRQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-15-9-7-13(8-10-15)20(25)24-18-12-19(17(22)11-16(18)21)23-14-5-3-2-4-6-14/h7-12,14,23H,2-6,22H2,1H3,(H,24,25).
What are the key properties of N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide?
N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide has a molecular weight of 373.88 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 50881773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).