N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide

C19H20ClN5O3 — CID 155949254

IUPACN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide
SMILESCOc1cc2n[nH]nc2cc1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O3/c1-27-18-10-17-16(22-24-23-17)9-14(18)19(26)21-13-3-2-12(15(20)8-13)11-25-4-6-28-7-5-25/h2-3,8-10H,4-7,11H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyABVDCKNWORYQDX-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.70
Rot. Bonds5

About N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide (PubChem CID 155949254) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide
PubChem CID155949254
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide
SMILESCOc1cc2n[nH]nc2cc1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O3/c1-27-18-10-17-16(22-24-23-17)9-14(18)19(26)21-13-3-2-12(15(20)8-13)11-25-4-6-28-7-5-25/h2-3,8-10H,4-7,11H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyABVDCKNWORYQDX-UHFFFAOYSA-N
XLogP2.70
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
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CID 84600438
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
CID 75520574
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide
CID 75503898
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
CID 110609625
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739
1-(3-chloro-4-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 100749481
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide (CID 155949254) is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide is COc1cc2n[nH]nc2cc1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide?
The InChIKey is ABVDCKNWORYQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-27-18-10-17-16(22-24-23-17)9-14(18)19(26)21-13-3-2-12(15(20)8-13)11-25-4-6-28-7-5-25/h2-3,8-10H,4-7,11H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide?
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 155949254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).